UCSF

ZINC36993770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 5.43 -39.72 3 3 1 50 246.33 5
Mid Mid (pH 6-8) 2.97 4.65 -6.11 2 3 0 45 245.322 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )